8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one

C20H25N3O4 — CID 170753453

IUPAC8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(CC3CCOC3)c(N3CCOCC3)nc12
InChIInChI=1S/C20H25N3O4/c1-13-9-16(14(2)24)18-17(10-13)19(25)23(11-15-3-6-27-12-15)20(21-18)22-4-7-26-8-5-22/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyVVIKVVLVHDUKSC-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.78
Rot. Bonds4

About 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one

8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one (PubChem CID 170753453) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
PubChem CID170753453
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(CC3CCOC3)c(N3CCOCC3)nc12
InChIInChI=1S/C20H25N3O4/c1-13-9-16(14(2)24)18-17(10-13)19(25)23(11-15-3-6-27-12-15)20(21-18)22-4-7-26-8-5-22/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyVVIKVVLVHDUKSC-UHFFFAOYSA-N
XLogP1.78
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one (CID 170753453) is 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(CC3CCOC3)c(N3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one?
The InChIKey is VVIKVVLVHDUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-9-16(14(2)24)18-17(10-13)19(25)23(11-15-3-6-27-12-15)20(21-18)22-4-7-26-8-5-22/h9-10,15H,3-8,11-12H2,1-2H3.
What are the key properties of 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one?
8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one has a molecular weight of 371.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 170753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).